SCHEMBL4628949

SCHEMBL4628949

O=C(NCc1ccccn1)c1c[c][c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
POLB P06746 3/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPK14 Q16539 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CA2 P00918 1/20 0.55
HPGD P15428 5/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4626846 0.86 RAB9A (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7953774 0.83 POLB (0.60) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL166484 0.81 LMNA (0.82) LMNAPOLBNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL27843329 0.79 LMNA (0.80) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL949170 0.78 LMNA (0.73) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL4628549 0.78 HDAC6 (0.57) LMNAPOLBRAB9AKMT2AKDM4E
SCHEMBL21768049 0.77 LMNA (0.76) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL18031536 0.75 LMNA (0.74) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL11625676 0.75 LMNA (0.74) LMNAPOLBNPC1RAB9AMEN1
SCHEMBL13102332 0.75 RAB9A (0.74) LMNAPOLBNPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 LMNA 803/4885POLB 4554/4885NPC1 3917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.